| CAS Number | 1246816-57-8 |
| Catalog Number | AG009FE4(AGN-PC-0WOXEZ) |
| Chemical Name | α,α-Bis[2-(dimethylamino)ethyl]-4-chlorophenylacetonitrile |
| IUPAC Name | 2-(4-chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile |
| InChI | InChI=1S/C16H24ClN3/c1-19(2)11-9-16(13-18,10-12-20(3)4)14-5-7-15(17)8-6-14/h5-8H,9-12H2,1-4H3 |
| InChI Key | WHQXETBOFLTSJG-UHFFFAOYSA-N |
| MDL Number | MFCD16293779 |
| Molecular Formula | C16H24ClN3 |
| Molecular Weight | 293.8349 |
| SMILES | CN(C)CCC(CCN(C)C)(C#N)C1=CC=C(C=C1)Cl |
| UNII | 0ZD111VO20 |
| Synonyms | 1246816-57-8,
UNII-0ZD111VO20,
0ZD111VO20,
2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile,
2-(4-Chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile,
Chlorphenamine maleate impurity A [EP],
Chlorphenamine maleate specified impurity A [EP],
DTXSID90154460,
Chlorphenamine Impurity A Dimaleate,
ZINC59106363,
alpha,alpha-Bis[2-(dimethylamino)ethyl]-4-chlorophenylacetonitrile,
Chlorpheniramine Impurity A,
CS-T-06902,
alpha,alpha-Bis[2-(dimethylamino)ethyl]-,
|A,|A-Bis[2-(dimethylamino)ethyl]-4-chlorophenylacetonitrile,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.839g/mol |
| Monoisotopic Mass | 293.166g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 30.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number